SCHEMBL21200967

SCHEMBL21200967

Cn1c(S)nnc1C(F)(F)C1(c2cccc(NC(=O)O)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BACE1 P56817 4/20 0.34
▸ CBLB Q13191 3/20 0.34
▸ KCNJ6 P48051 2/20 0.33
▸ KCNJ5 P48544 2/20 0.33
▸ KCNJ3 P48549 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ OPRM1 P35372 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29866989 0.87 HCRTR1 (0.45) MEN1CYP2C19KMT2A
SCHEMBL21201116 0.82 CBLB (0.44) POLBCBLB
SCHEMBL21200369 0.75 AKR1C3 (0.40) MEN1CYP2C9CYP2C19HTTKMT2A
SCHEMBL21201248 0.71 ALDH1A1 (0.42) MEN1CYP1A2POLBCYP2D6CYP2C9
SCHEMBL29866714 0.69 HCRTR1 (0.44) CBLB
SCHEMBL21200277 0.67 ALDH1A1 (0.43) MEN1CYP1A2POLBCYP2D6CYP2C9
SCHEMBL25214857 0.64 LMNA (0.51) MEN1POLBHTTKMT2ASMN1; SMN2
SCHEMBL24028223 0.62 KMT2A (0.48) MEN1CYP1A2POLBCYP2C9CYP2C19
SCHEMBL11858223 0.60 GPR35 (0.67) MEN1POLBKMT2ASMN1; SMN2
SCHEMBL28148358 0.60 KMT2A (0.42) MEN1CYP1A2POLBCYP2D6CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743063-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF Nurix Therapeutics, Inc. (US) 2020-12-02 — — EP disclosed
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 — — WO disclosed
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